Spectrum MSJ00020 for Demethoxycurcumin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Natural Product; Curcumins
InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-13,21,23-24H,1H3/b9-4+,10-5+,18-13-
UEPVWRDHSPMIAZ-IZTHOABVSA-N
C20H18O5
338.115423676
O=C(C=CC1=CC=C(O)C=C1)C=C(O)C=CC2=CC=C(O)C(OC)=C2

Mass Spectral Metadata

NameValue
MSJ00020
2016.01.19 (Created 2014.07.22)
CASMI2013 organizers
CC BY-SA
Mass Spectrometry Society of Japan
338.11542
LC-IT-TOF (Shimadzu)
ESI-ITTOF
MS2
200 C
80 % by Ar 50 %
ESI
1.5 L/min
negative
2.181245916167993
0.8265246426025885
337.10705
[M-H]-
3.2561644734873543 ppm
-0.0010976759999721253 Da